BDBM209000 US9233167, a-6-mPEG3-O-Codeine

SMILES: COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45

InChI Key: InChIKey=YUNYZPGJOLFRAP-MOKQUFKWSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 209000   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Homo sapiens (Human))	BDBM209000 (US9233167, a-6-mPEG3-O-Codeine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:12,TLB:23:31:14:29.27.28,18:17:14:29.27.28| Show InChI InChI=1S/C25H35NO6/c1-26-9-8-25-18-5-7-21(31-15-14-30-13-12-29-11-10-27-2)24(25)32-23-20(28-3)6-4-17(22(23)25)16-19(18)26/h4-7,18-19,21,24H,8-16H2,1-3H3/t18?,19?,21-,24?,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.26E+3	-7.32	n/a	n/a	n/a	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM209000 (US9233167, a-6-mPEG3-O-Codeine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:12,TLB:23:31:14:29.27.28,18:17:14:29.27.28| Show InChI InChI=1S/C25H35NO6/c1-26-9-8-25-18-5-7-21(31-15-14-30-13-12-29-11-10-27-2)24(25)32-23-20(28-3)6-4-17(22(23)25)16-19(18)26/h4-7,18-19,21,24H,8-16H2,1-3H3/t18?,19?,21-,24?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.65E+4	-6.05	n/a	n/a	n/a	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM209000 (US9233167, a-6-mPEG3-O-Codeine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:12,TLB:23:31:14:29.27.28,18:17:14:29.27.28| Show InChI InChI=1S/C25H35NO6/c1-26-9-8-25-18-5-7-21(31-15-14-30-13-12-29-11-10-27-2)24(25)32-23-20(28-3)6-4-17(22(23)25)16-19(18)26/h4-7,18-19,21,24H,8-16H2,1-3H3/t18?,19?,21-,24?,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.97E+4	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair